Geometry & MOs

Info

ID:

432478

PubChem CID:

135172611

Reduced:

F3O8C31H35 (1)

Stoich.:

A3B8C31D35 (1)

Weight, g/mol:

748.322303

ΔHf, kcal/mol:

-461.4

Dipole, Da:

1.55

IP(EA), eV:

 -9.14(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-[2-[4-[4-(5,5,5-trifluoropentyl)cyclohexyl]phenyl]ethynyl]phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCOC1=CC(=CC(=C1)C2=CC=C(C=C2)C3CCC(CC3)CCC(F)(F)F)OCOC(=O)C(=C)CO

DOS

IR

Vibrations